(3-ethoxy-4-prop-2-enoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (3-ethoxy-4-prop-2-enoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-allyloxy-3-ethoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione CAS Name: (3-ethoxy-4-prop-2-enoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-ethoxy-4-prop-2-enoxyphenyl)methanethione Traditional Name: (4-allyloxy-3-ethoxy-phenyl)-(4-benzylpiperazin-4-ium-1-yl)methanethione Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC=C

InChI

InChI=1S/C23H28N2O2S/c1-3-16-27-21-11-10-20(17-22(21)26-4-2)23(28)25-14-12-24(13-15-25)18-19-8-6-5-7-9-19/h3,5-11,17H,1,4,12-16,18H2,2H3/p+1